(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H30N2O4S/c1-16(20(27)25-23(15-24)12-8-5-9-13-23)30-18-11-7-6-10-17(18)21(28)29-14-19(26)22(2,3)4/h6-7,10-11,16H,5,8-9,12-14H2,1-4H3,(H,25,27)/t16-/m0/s1